1-[4-[2-(4-methoxyphenoxy)-5-nitro-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-(4-methoxyphenoxy)-5-nitro-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-(4-methoxyphenoxy)-5-nitro-benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[2-(4-methoxyphenoxy)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-(4-methoxyphenoxy)-5-nitrobenzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-(4-methoxyphenoxy)-5-nitro-benzoyl]piperazino]-2-methyl-propan-1-one Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O6/c1-15(2)21(26)23-10-12-24(13-11-23)22(27)19-14-16(25(28)29)4-9-20(19)31-18-7-5-17(30-3)6-8-18/h4-9,14-15H,10-13H2,1-3H3